SCHEMBL17010246

SCHEMBL17010246

COC(=O)c1cc(C)c(O)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
CYP3A4 P08684 2/20 0.36
ACHE P22303 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 5/20 0.36
HIF1A Q16665 2/20 0.35
HPGD P15428 2/20 0.35
MYC P01106 1/20 0.35
UCHL1 P09936 1/20 0.34
POLB P06746 3/20 0.33
XDH P47989 2/20 0.33
KDM4E B2RXH2 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18107886 0.86 CA12 (0.37) CA12CA1CA2CA7CA9
SCHEMBL17201292 0.83 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL25339433 0.82 UCHL1 (0.34) CA12CA1CA2CA7CA9
SCHEMBL19946099 0.82 GAA (0.38) LMNATSHRGAAHPGDUCHL1
SCHEMBL23496925 0.82 KDM4E (0.42) CYP3A4TSHRGAAHPGDUCHL1
SCHEMBL18120697 0.81 UCHL1 (0.34) CA12CA1CA2CA7CA9
SCHEMBL17010234 0.80 TDP1 (0.40) CA9CYP3A4LMNATSHRGAA
SCHEMBL16005015 0.79 KDM4E (0.35) CA12CA1CA2CA7CA9
SCHEMBL1918526 0.79 UCHL1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL20027587 0.79 UCHL1 (0.35) LMNATSHRGAAHIF1AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040087-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 US disclosed
US-20190040087-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
EP-3107921-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES Syngenta Participations AG (CH) 2016-12-28 EP disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
WO-2015121442-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-20 WO disclosed
WO-2015121442-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190040087-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES MPO, BROX, MANBA CA12 3032/4885CA1 3955/4885CA2 2692/4885
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES MPO, BROX, MANBA CA12 3032/4885CA1 3955/4885CA2 2692/4885
US-10040806-B2 Microbiocidally active benzoxaboroles MPO, BROX, MANBA CA12 3032/4885CA1 3955/4885CA2 2692/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.